N-[(2-hydroxy-4,6-dimethyl-1,2-dihydropyridin-3-yl)methyl]-6-[1-(1-methylazetidine-3-carbonyl)piperidin-4-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C28H39N7O3 — CID 155181881

About N-[(2-hydroxy-4,6-dimethyl-1,2-dihydropyridin-3-yl)methyl]-6-[1-(1-methylazetidine-3-carbonyl)piperidin-4-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[(2-hydroxy-4,6-dimethyl-1,2-dihydropyridin-3-yl)methyl]-6-[1-(1-methylazetidine-3-carbonyl)piperidin-4-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 155181881) has the molecular formula C28H39N7O3 and a molecular weight of 521.67 g/mol. Its IUPAC name is N-[(2-hydroxy-4,6-dimethyl-1,2-dihydropyridin-3-yl)methyl]-6-[1-(1-methylazetidine-3-carbonyl)piperidin-4-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(2-hydroxy-4,6-dimethyl-1,2-dihydropyridin-3-yl)methyl]-6-[1-(1-methylazetidine-3-carbonyl)piperidin-4-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 155181881
• Molecular Formula: C28H39N7O3
• Molecular Weight: 521.67 g/mol
• Exact Mass: 521.31
• IUPAC Name: N-[(2-hydroxy-4,6-dimethyl-1,2-dihydropyridin-3-yl)methyl]-6-[1-(1-methylazetidine-3-carbonyl)piperidin-4-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: CC1=CC(C)=C(CNC(=O)c2cc(C3CCN(C(=O)C4CN(C)C4)CC3)nc3c2cnn3C(C)C)C(O)N1
• InChI: InChI=1S/C28H39N7O3/c1-16(2)35-25-23(13-30-35)21(26(36)29-12-22-17(3)10-18(4)31-27(22)37)11-24(32-25)19-6-8-34(9-7-19)28(38)20-14-33(5)15-20/h10-11,13,16,19-20,27,31,37H,6-9,12,14-15H2,1-5H3,(H,29,36)
• InChIKey: WLYUNIKTKLFYRC-UHFFFAOYSA-N
• XLogP: 2.15
• TPSA: 115.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.67
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-4,6-dimethyl-1,2-dihydropyridin-3-yl)methyl]-6-[1-(1-methylazetidine-3-carbonyl)piperidin-4-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of N-[(2-hydroxy-4,6-dimethyl-1,2-dihydropyridin-3-yl)methyl]-6-[1-(1-methylazetidine-3-carbonyl)piperidin-4-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 155181881) is N-[(2-hydroxy-4,6-dimethyl-1,2-dihydropyridin-3-yl)methyl]-6-[1-(1-methylazetidine-3-carbonyl)piperidin-4-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for N-[(2-hydroxy-4,6-dimethyl-1,2-dihydropyridin-3-yl)methyl]-6-[1-(1-methylazetidine-3-carbonyl)piperidin-4-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for N-[(2-hydroxy-4,6-dimethyl-1,2-dihydropyridin-3-yl)methyl]-6-[1-(1-methylazetidine-3-carbonyl)piperidin-4-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CC1=CC(C)=C(CNC(=O)c2cc(C3CCN(C(=O)C4CN(C)C4)CC3)nc3c2cnn3C(C)C)C(O)N1.

What is the InChIKey of N-[(2-hydroxy-4,6-dimethyl-1,2-dihydropyridin-3-yl)methyl]-6-[1-(1-methylazetidine-3-carbonyl)piperidin-4-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is WLYUNIKTKLFYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N7O3/c1-16(2)35-25-23(13-30-35)21(26(36)29-12-22-17(3)10-18(4)31-27(22)37)11-24(32-25)19-6-8-34(9-7-19)28(38)20-14-33(5)15-20/h10-11,13,16,19-20,27,31,37H,6-9,12,14-15H2,1-5H3,(H,29,36).

What are the key properties of N-[(2-hydroxy-4,6-dimethyl-1,2-dihydropyridin-3-yl)methyl]-6-[1-(1-methylazetidine-3-carbonyl)piperidin-4-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

N-[(2-hydroxy-4,6-dimethyl-1,2-dihydropyridin-3-yl)methyl]-6-[1-(1-methylazetidine-3-carbonyl)piperidin-4-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 521.67 g/mol, XLogP of 2.15, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-hydroxy-4,6-dimethyl-1,2-dihydropyridin-3-yl)methyl]-6-[1-(1-methylazetidine-3-carbonyl)piperidin-4-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 155181881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).